SCHEMBL28456601

SCHEMBL28456601

N#Cc1ccc2c(=O)c3ccc(C#N)cc3sc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 2/20 0.47
▸ MIF P14174 3/20 0.45
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ STS P08842 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ APP P05067 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ CASP3 P42574 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28453419 0.93 STS (0.45) G6PDMIFCA1CA2STS
SCHEMBL11631827 0.91 KDM4E (0.50) G6PDMIFCA1CA2KDM4E
SCHEMBL549183 0.87 G6PD (0.45) G6PDMIFCA1CA2STS
SCHEMBL28462335 0.84 STS (0.49) G6PDMIFCA1CA2STS
SCHEMBL11632495 0.82 CYP2A6 (0.44) G6PDMIFSTSDYRK1AKDM4E
SCHEMBL11633530 0.82 CSNK1D (0.45) G6PDMIFSTSKDM4ETDP1
SCHEMBL13367155 0.79 NPC1 (0.59) G6PDSTSKDM4ETDP1
SCHEMBL16905520 0.78 GPR3 (0.54) G6PDMIFCA1CA2APP
SCHEMBL24155581 0.77 MIF (0.50) G6PDMIFCA1CA2APP
SCHEMBL15763539 0.77 MAOB (0.40) G6PDMIFCA1CA2STS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269420-A High-plane-rigidity thioxanthone polyimide and preparation method and application thereof 湖南工业大学 2020-06-12 — — CN disclosed
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